5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid

C12H15N3O3 — CID 55242302

IUPAC5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NCCc2ccco2)c1C(=O)O
InChIInChI=1S/C12H15N3O3/c1-8-10(12(16)17)11(15(2)14-8)13-6-5-9-4-3-7-18-9/h3-4,7,13H,5-6H2,1-2H3,(H,16,17)
InChIKeyAOZHTRGUYPKWBZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.67
Rot. Bonds5

About 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid

5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 55242302) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID55242302
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NCCc2ccco2)c1C(=O)O
InChIInChI=1S/C12H15N3O3/c1-8-10(12(16)17)11(15(2)14-8)13-6-5-9-4-3-7-18-9/h3-4,7,13H,5-6H2,1-2H3,(H,16,17)
InChIKeyAOZHTRGUYPKWBZ-UHFFFAOYSA-N
XLogP1.67
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazole-4-carboxylic acid
CID 63756912
1,3-dimethyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrazole-4-carboxylic acid
CID 106042814
5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029181
5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 106342817
5-[(3-chlorophenyl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63757585
N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 19477976
5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490683
1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid
CID 106409581
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 114140001
3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
CID 51086083
6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61471529
2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80569145

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid (CID 55242302) is 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid is Cc1nn(C)c(NCCc2ccco2)c1C(=O)O.
What is the InChIKey of 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is AOZHTRGUYPKWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-10(12(16)17)11(15(2)14-8)13-6-5-9-4-3-7-18-9/h3-4,7,13H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 55242302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).